2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

C9H5ClN2O2S — CID 83298235

IUPAC2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccnc2Cl)n1
InChIInChI=1S/C9H5ClN2O2S/c10-7-5(2-1-3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKeyWFWCYHIBBNXAOR-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 83298235) has the molecular formula C9H5ClN2O2S and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID83298235
Molecular FormulaC9H5ClN2O2S
Molecular Weight240.67 g/mol
Exact Mass239.98
IUPAC Name2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2cccnc2Cl)n1
InChIInChI=1S/C9H5ClN2O2S/c10-7-5(2-1-3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
InChIKeyWFWCYHIBBNXAOR-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 716091
2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 15623090
2-(3-Pyridyl)thiazole-4-carboxylic acid
CID 736513
5-(Thiazol-2-yl)pyridine-2-carboxylic acid
CID 57827797
4-Thiazolecarboxylic acid, 2-(3-chloro-2-pyridinyl)-
CID 71695382
2-(Pyridin-3-Yl)-1,3-Thiazole-4-Carbaldehyde
CID 18913501
(2-Pyridin-3-yl-1,3-thiazol-4-yl)methanol
CID 4961264
Ethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)thiazole-4-carboxylate
CID 2740491
S-(4-chlorophenyl) 2-pyridin-3-yl-1,3-thiazole-4-carbothioate
CID 2824240
Ethyl 2-(pyridin-4-YL)thiazole-4-carboxylate
CID 595483
2-(3-Fluoropyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 71695287
Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)thiazole-4-carboxylate
CID 166448386

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 83298235) is 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2cccnc2Cl)n1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is WFWCYHIBBNXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2S/c10-7-5(2-1-3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14).
What are the key properties of 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83298235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).